1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C25H29N5O3 — CID 55970205

About 1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55970205) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 55970205
• Molecular Formula: C25H29N5O3
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.23
• IUPAC Name: 1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
• SMILES: NC(=O)C1CCCN(c2ccc(NC(=O)C3CC(=O)N(c4ccc5c(c4)CCC5)C3)cn2)C1
• InChI: InChI=1S/C25H29N5O3/c26-24(32)18-5-2-10-29(14-18)22-9-7-20(13-27-22)28-25(33)19-12-23(31)30(15-19)21-8-6-16-3-1-4-17(16)11-21/h6-9,11,13,18-19H,1-5,10,12,14-15H2,(H2,26,32)(H,28,33)
• InChIKey: CEEHMLCBVKLJRE-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 108.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of 1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55970205) is 1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)C3CC(=O)N(c4ccc5c(c4)CCC5)C3)cn2)C1.

What is the InChIKey of 1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is CEEHMLCBVKLJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c26-24(32)18-5-2-10-29(14-18)22-9-7-20(13-27-22)28-25(33)19-12-23(31)30(15-19)21-8-6-16-3-1-4-17(16)11-21/h6-9,11,13,18-19H,1-5,10,12,14-15H2,(H2,26,32)(H,28,33).

What are the key properties of 1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?

1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55970205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).